Poly(ethylene succinate) - UltraPureChrom™, for GC, Liquid Phase , CAS No.25569-53-3

CAS: 25569-53-3 Cat. No.: P111885 분자식: (C₆H₈O₄)n

GRADE & PURITY UltraPureChrom™, for GC, Liquid Phase

Synonyms

DTXSID60948459 | SCHEMBL1218684 | Butanedioic acid--ethane-1,2-diol (1/1) | AKOS015894230 | FT-0696874 | VJVOPINBJQWMNY-UHFFFAOYSA-N | butanedioic acid;ethane-1,2-diol

Storage

Room temperature

Shipped In

Normal

개요

Liquid Phase for GC

Specifications

동의어

DTXSID60948459 | SCHEMBL1218684 | Butanedioic acid--ethane-1,2-diol (1/1) | AKOS015894230 | FT-0696874 | VJVOPINBJQWMNY-UHFFFAOYSA-N | butanedioic acid;ethane-1,2-diol

사양 및 순도

UltraPureChrom™, for GC, Liquid Phase

보관 조건

Room temperature

배송

Normal

등급

for GC, UltraPureChrom™

이름과 식별자

• Pubchem Sid: 488183209
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183209
• 정식 스마일: C(CC(=O)O)C(=O)O.C(CO)O
• IUPAC Name: butanedioic acid;ethane-1,2-diol
• InChIKey: VJVOPINBJQWMNY-UHFFFAOYSA-N
• INCHI: 1S/C4H6O4.C2H6O2/c5-3(6)1-2-4(7)8;3-1-2-4/h1-2H2,(H,5,6)(H,7,8);3-4H,1-2H2
• 이성체 SMILES: C(CC(=O)O)C(=O)O.C(CO)O
• WGK 독일: 3
• Reaxy-Rn: 33262033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33262033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Fatty acids and conjugates 1,2-diols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Fatty acid - Dicarboxylic acid or derivatives - 1,2-diol - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in Chloroform
• 녹는점(°C): 69-72°C
• 분자량: 180.160 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 180.063 Da
• Monoisotopic Mass: 180.063 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 98.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3